[1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol

C24H32N4O2S — CID 143791773

IUPAC[1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol
SMILESCOc1ccc(C2CCN(c3nc4c(c(CNC5(CO)CCC5)n3)SCC4)CC2)cc1
InChIInChI=1S/C24H32N4O2S/c1-30-19-5-3-17(4-6-19)18-7-12-28(13-8-18)23-26-20-9-14-31-22(20)21(27-23)15-25-24(16-29)10-2-11-24/h3-6,18,25,29H,2,7-16H2,1H3
InChIKeyAYAZFUFMVIOXSZ-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.52
Rot. Bonds7

About [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol

[1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol (PubChem CID 143791773) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol
PubChem CID143791773
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name[1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol
SMILESCOc1ccc(C2CCN(c3nc4c(c(CNC5(CO)CCC5)n3)SCC4)CC2)cc1
InChIInChI=1S/C24H32N4O2S/c1-30-19-5-3-17(4-6-19)18-7-12-28(13-8-18)23-26-20-9-14-31-22(20)21(27-23)15-25-24(16-29)10-2-11-24/h3-6,18,25,29H,2,7-16H2,1H3
InChIKeyAYAZFUFMVIOXSZ-UHFFFAOYSA-N
XLogP3.52
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 58117793
4-[[1-(hydroxymethyl)cyclopropyl]amino]-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrocyclopenta[d]pyrimidin-5-one
CID 71288812
[1-[[(5S)-2-[4-(2,3-dihydro-1H-inden-5-yl)piperidin-1-yl]-6,6-dimethyl-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 176868267
1-[4-[[2-[4-(4-chlorophenyl)piperidin-1-yl]-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]amino]phenyl]ethane-1,2-diol
CID 178120917
[1-[[2-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)piperidin-1-yl]-5-oxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 176867136
[1-[[2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrostannolo[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
CID 144535672
[1-[[2-[4-(2,3-dihydro-1H-inden-5-yl)piperidin-1-yl]-5-oxo-6,7,8,9-tetrahydrothiepino[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 176868149
1-(4-ethylphenyl)-4-(4-methoxyphenyl)piperidine
CID 166657002
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine
CID 154678495
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
4-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]phenol
CID 99808936

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol (CID 143791773) is [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol is COc1ccc(C2CCN(c3nc4c(c(CNC5(CO)CCC5)n3)SCC4)CC2)cc1.
What is the InChIKey of [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol?
The InChIKey is AYAZFUFMVIOXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-30-19-5-3-17(4-6-19)18-7-12-28(13-8-18)23-26-20-9-14-31-22(20)21(27-23)15-25-24(16-29)10-2-11-24/h3-6,18,25,29H,2,7-16H2,1H3.
What are the key properties of [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol?
[1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol has a molecular weight of 440.61 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methylamino]cyclobutyl]methanol is sourced from PubChem (CID 143791773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).